CID 11810914

148398-19-0

Structural Information

Molecular Formula
C25H28O3
SMILES
CC1=CC(=C(C(=C1)CC2=C(C=C(C(=C2)C)O)C)O)CC3=C(C=C(C(=C3)C)O)C
InChI
InChI=1S/C25H28O3/c1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3/h6-11,26-28H,12-13H2,1-5H3
InChIKey
GOWFRAUGTCYVPS-UHFFFAOYSA-N
Compound name
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

350
Patents

376.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 193.7
[M+Na]+ 399.19308 203.2
[M-H]- 375.19658 201.0
[M+NH4]+ 394.23768 205.0
[M+K]+ 415.16702 196.5
[M+H-H2O]+ 359.20112 185.3
[M+HCOO]- 421.20206 211.4
[M+CH3COO]- 435.21771 221.0
[M+Na-2H]- 397.17853 190.5
[M]+ 376.20331 196.3
[M]- 376.20441 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe